Adamo C - Search Results

1

Revisiting the relationship between the bond length alternation and the first hyperpolarizability with range-separated hybrid functionals.

Jacquemin D, Perpéte EA, Ciofini I, Adamo C. Jacquemin D, et al. Among authors: adamo c. J Comput Chem. 2008 Apr 30;29(6):921-5. doi: 10.1002/jcc.20849. J Comput Chem. 2008. PMID: 17963222

2

On the Calculation and Modeling of Magnetic Exchange Interactions in Weakly Bonded Systems: The Case of the Ferromagnetic Copper(II) &mgr;(2)-Azido Bridged Complexes.

Adamo C, Barone V, Bencini A, Totti F, Ciofini I. Adamo C, et al. Inorg Chem. 1999 May 3;38(9):1996-2004. doi: 10.1021/ic9812306. Inorg Chem. 1999. PMID: 11670977

3

First-principle molecular dynamics of the Berry pseudorotation: insights on 19F NMR in SF4.

Pavone M, Barone V, Ciofini I, Adamo C. Pavone M, et al. Among authors: adamo c. J Chem Phys. 2004 May 15;120(19):9167-74. doi: 10.1063/1.1707012. J Chem Phys. 2004. PMID: 15267853

4

Performance of the tau-dependent functionals in predicting the magnetic coupling of ionic antiferromagnetic insulators.

Ciofini I, Illas F, Adamo C. Ciofini I, et al. Among authors: adamo c. J Chem Phys. 2004 Feb 22;120(8):3811-6. doi: 10.1063/1.1642592. J Chem Phys. 2004. PMID: 15268545

5

Photoinduced intramolecular electron transfer in ruthenium and osmium polyads: insights from theory.

Ciofini I, Lainé PP, Bedioui F, Adamo C. Ciofini I, et al. Among authors: adamo c. J Am Chem Soc. 2004 Sep 1;126(34):10763-77. doi: 10.1021/ja0482278. J Am Chem Soc. 2004. PMID: 15327337

6

Complete structural and magnetic characterization of biological radicals in solution by an integrated quantum mechanical approach: glycyl radical as a case study.

Ciofini I, Adamo C, Barone V. Ciofini I, et al. Among authors: adamo c. J Chem Phys. 2004 Oct 8;121(14):6710-8. doi: 10.1063/1.1791031. J Chem Phys. 2004. PMID: 15473726

7

Photoinduced processes within compact dyads based on triphenylpyridinium-functionalized bipyridyl complexes of ruthenium(II).

Lainé PP, Ciofini I, Ochsenbein P, Amouyal E, Adamo C, Bedioui F. Lainé PP, et al. Among authors: adamo c. Chemistry. 2005 Jun 6;11(12):3711-27. doi: 10.1002/chem.200401150. Chemistry. 2005. PMID: 15822134

8

Effect of self-interaction error in the evaluation of the bond length alternation in trans-polyacetylene using density-functional theory.

Ciofini I, Adamo C, Chermette H. Ciofini I, et al. Among authors: adamo c. J Chem Phys. 2005 Sep 22;123(12):121102. doi: 10.1063/1.2047447. J Chem Phys. 2005. PMID: 16397946

9

Assessment of several hybrid DFT functionals for the evaluation of bond length alternation of increasingly long oligomers.

Jacquemin D, Femenias A, Chermette H, Ciofini I, Adamo C, André JM, Perpète EA. Jacquemin D, et al. Among authors: adamo c. J Phys Chem A. 2006 May 4;110(17):5952-9. doi: 10.1021/jp060541w. J Phys Chem A. 2006. PMID: 16640395

10

Mechanism of the palladium-catalyzed homocoupling of arylboronic acids: key involvement of a palladium peroxo complex.

Adamo C, Amatore C, Ciofini I, Jutand A, Lakmini H. Adamo C, et al. J Am Chem Soc. 2006 May 31;128(21):6829-36. doi: 10.1021/ja0569959. J Am Chem Soc. 2006. PMID: 16719463

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